• 文献标题:   Understanding the graphene-based electric double layer from dielectric perspective: A density functional study
  • 文献类型:   Article
  • 作  者:   MA K, WANG XW, CUI YF, LIN FH, DENG C, SHI HS
  • 作者关键词:  
  • 出版物名称:   CHEMICAL PHYSICS LETTERS
  • ISSN:   0009-2614 EI 1873-4448
  • 通讯作者地址:   Tianjin Univ Technol
  • 被引频次:   6
  • DOI:   10.1016/j.cplett.2017.04.006
  • 出版年:   2017

▎ 摘  要

We apply density functional calculations to electrical double layer system of ionic liquids near graphene-based electrode of various layers. Dielectric screening extends deep into the inside of the electrode. Across graphene sheets, non-uniform charge distribution indicates a highly polarizable electrode. The quantum capacitance obtained from density of states functional is validated by calculating quantum capacitance from definition, i.e. dividing excess charges by corresponding potential shift. In systems of charged interface, Fermi level experiences a shift relative to Dirac point. The shift region is dominated by projected density of states on graphene with a rather invariant shape compared to pristine graphene. (C) 2017 Elsevier B.V. All rights reserved.